BaCrNi
Alexandria ALEXAlex-ID: agm003060102 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC_317_spg166
Ba6Ni Cr Ba2Ni3
2015-04-12 19:28:48
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003060102).
Th. Cavignac, J. Schmidt, P.-P. De Breuck, A. Loew, T. F. T. Cerqueira, H.-C. Wang, A. Bochkarev, Y. Lysogorskiy, A. H. Romero, R. Drautz, S. Botti and M. A. L. Marques. AI-Driven expansion and application of the Alexandria database. J. Phys. Mater. 9, 025014 (2026). https://doi.org/10.1088/2515-7639/ae6620
@article{Cavignac2026Alexandria,
author = {Cavignac, Th{\'e}o and Schmidt, Jonathan and De Breuck, Pierre-Paul and Loew, Antoine
and Cerqueira, Tiago F. T. and Wang, Hai-Chen and Bochkarev, Anton
and Lysogorskiy, Yury and Romero, Aldo H. and Drautz, Ralf and Botti, Silvana
and Marques, Miguel A. L.},
title = {{AI}-Driven expansion and application of the {A}lexandria database},
journal = {Journal of Physics: Materials},
year = {2026},
volume = {9},
number = {2},
pages = {025014},
doi = {10.1088/2515-7639/ae6620},
url = {https://doi.org/10.1088/2515-7639/ae6620}
}
3D Crystal Structure Rendering
Loading 3D structure…
# CIF generated by HEAS from Alexandria entry agm003060102
data_agm003060102
_cell_length_a 11.01808
_cell_length_b 3.97651
_cell_length_c 4.10545
_cell_angle_alpha 121.10049
_cell_angle_beta 78.96405
_cell_angle_gamma 89.98585
_cell_volume 150.11591
_symmetry_space_group_name_H-M 'P 1'
_symmetry_Int_Tables_number 1
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Cr1 Cr 0.23437 0.26351 0.05143 1.00000
Cr2 Cr 0.21507 0.90823 0.38372 1.00000
Ba1 Ba 0.52585 0.79064 0.16561 1.00000
Ba2 Ba 0.92355 0.38046 0.27034 1.00000
Ni1 Ni 0.33497 0.54073 0.63829 1.00000
Ni2 Ni 0.11460 0.63083 0.79676 1.00000
Get direct link